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Ligand

NameCHEMBL236221
Molecular formulaC46H53F2N13O8
IUPAC nameethyl 3-[[[2-[[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]-2-oxoethyl]-benzylamino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
Molecular weight954.01
Hydrogen bond acceptor17
Hydrogen bond donor3
XlogP3.8
SynonymsBDBM50423184
Inchi KeyAWEPLDCHTFPUBQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C46H53F2N13O8/c1-3-50-45(65)53-34-15-13-33(14-16-34)42-40(61-43(63)37(44(64)69-4-2)29-59(46(61)54-42)28-36-38(47)11-8-12-39(36)48)30-58(26-32-9-6-5-7-10-32)31-41(62)51-25-35-27-60(57-55-35)18-20-67-22-24-68-23-21-66-19-17-52-56-49/h5-16,27,29H,3-4,17-26,28,30-31H2,1-2H3,(H,51,62)(H2,50,53,65)
PubChem CID44434432
ChEMBLCHEMBL236221
IUPHARN/A
BindingDB50423184
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15928Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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